SCHEMBL10704392

SCHEMBL10704392

N#Cc1ccc(C(=O)c2ccc(O)c(CC(=O)O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ GSK3B P49841 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ EGFR P00533 2/20 0.40
▸ P4HB P07237 1/20 0.39
▸ ANO1 Q5XXA6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.37
▸ PKM P14618 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10704460 0.83 SRD5A2 (0.52) AKR1B1CA1CA2EGFRSIRT1
SCHEMBL10704144 0.83 AKR1B1 (0.58) AKR1B1EGFR
SCHEMBL10710964 0.80 P4HB (0.66) P4HB
SCHEMBL10710969 0.80 P4HB (0.66) P4HB
SCHEMBL10706677 0.80 ALDH1A1 (0.52) AKR1B1EGFRSIRT1HTTPKM
SCHEMBL10707197 0.80 AKR1B1 (0.46) AKR1B1EGFRSIRT1PKM
SCHEMBL10706602 0.80 SRD5A2 (0.50) AKR1B1CA2EGFRSIRT1HTT
SCHEMBL10706364 0.80 PKM (0.56) AKR1B1EGFRSIRT1HTTPKM
SCHEMBL6748653 0.79 SIRT1 (0.54) GSK3BCA1CA2EGFRP4HB
SCHEMBL25908752 0.76 AKR1B1 (0.47) PTGDR2AKR1B1EGLN1HTTKDM4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150166-B1 NOVEL ARYLACITIC ACID DERIVATIVES PHARMACIA AB (SE) 1988-07-20 — — EP disclosed
US-4695648-A PROSTAGLANDIN DEHYDROGENASE INHIBITORS PHARMACIA AB (SE) 1987-09-22 — — US disclosed
EP-0168467-A1 NOVEL ARYLACETIC ACID DERIVATIVES PHARMACIA AB (SE) 1986-01-22 — — EP disclosed
WO-1985003287-A1 NOVEL ARYLACETIC ACID DERIVATIVES PHARMACIA AB (SE) 1985-08-01 — — WO disclosed
EP-0150166-A1 Novel arylacitic acid derivatives PHARMACIA AB (SE) 1985-07-31 — — EP disclosed
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